1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid

C14H17NO3 — CID 106902190

IUPAC1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCCCC(=O)N1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C14H17NO3/c1-2-5-13(16)15-9-11(14(17)18)8-10-6-3-4-7-12(10)15/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,17,18)
InChIKeyUDHZKKQCOLTLKL-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.08
Rot. Bonds3

About 1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid

1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid (PubChem CID 106902190) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
PubChem CID106902190
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
SMILESCCCC(=O)N1CC(C(=O)O)Cc2ccccc21
InChIInChI=1S/C14H17NO3/c1-2-5-13(16)15-9-11(14(17)18)8-10-6-3-4-7-12(10)15/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,17,18)
InChIKeyUDHZKKQCOLTLKL-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-propoxypropanoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902474
1-(2-butylsulfanylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902458
1-(2-methylsulfonylacetyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902475
1-(2,2-dimethylpropylcarbamoyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902849
1-[butan-2-yl(methyl)carbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902836
1-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902409
1-[2-(prop-2-enylamino)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901919
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902142
3-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63466515
1-(1H-pyrrole-2-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902469
1-[(2-methylcyclopropyl)methylcarbamoyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902875
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid (CID 106902190) is 1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid is CCCC(=O)N1CC(C(=O)O)Cc2ccccc21.
What is the InChIKey of 1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid?
The InChIKey is UDHZKKQCOLTLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-5-13(16)15-9-11(14(17)18)8-10-6-3-4-7-12(10)15/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,17,18).
What are the key properties of 1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid?
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 106902190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).